(2S)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N,N-di(propan-2-yl)propanamide

Systemtic Name: (2S)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N,N-di(propan-2-yl)propanamide Openeye Name: (2S)-2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N,N-diisopropyl-propanamide CAS Name: (2S)-2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N,N-di(propan-2-yl)propanamide IUPAC Name: (2S)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N,N-di(propan-2-yl)propanamide Traditional Name: (2S)-2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N,N-diisopropyl-propionamide Formula: C16H22N5OS+ MolecularWeight: 332.44378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)C(C)SC1=C(C=C(C(=[NH+]1)N)C#N)C#N

Isomeric SMILES

C[C@@H](C(=O)N(C(C)C)C(C)C)SC1=C(C=C(C(=[NH+]1)N)C#N)C#N

InChI

InChI=1S/C16H21N5OS/c1-9(2)21(10(3)4)16(22)11(5)23-15-13(8-18)6-12(7-17)14(19)20-15/h6,9-11H,1-5H3,(H2,19,20)/p+1/t11-/m0/s1